<html>
<head>
<meta http-equiv="Content-Type" content="text/html; charset=iso-8859-1">
<style type="text/css" style="display:none;"><!-- P {margin-top:0;margin-bottom:0;} --></style>
</head>
<body dir="ltr">
<div id="divtagdefaultwrapper" dir="ltr" style="font-size:12pt; color:rgb(0,0,0); font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols">
<p></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
Dear WIEN2k users,</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
I run into the following problem when running WIEN2k in parallel with mpi. WIEN2k Version is 19.1, the patches provided by Gavin Abo are installed. Elpa/FFTW3/Scalapack are used and compiled with gcc/gfortran mpicc/mpif90. The Compilation of</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
WIEN2k shows no errors.</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
K-Point parallelization works fine, WIEN2k is installed on a NFS share on a small selfbuild cluster (right now only 4 nodes but will be more if everything runs).</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
The Problem looks like a problem with openmpi, however simple exemplary mpif90 programs work fine when run in parallel. Something goes wrong with lapw1para.</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
---------------------------------------------------------------------------------------------------------------------------------- </p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">run_lapw -p</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">STOP LAPW0 END</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">[1] Done /usr/lib64/openmpi/bin/mpirun -x LD_LIBRARY_PATH -x PATH -np 2 -machinefile .machine0 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw0_mpi
lapw0.def >> .time00</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">[node0:1423512:0:1423512] Caught signal 11 (Segmentation fault: address not mapped to object at address (nil))</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">==== backtrace ====</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">[node0:1423513:0:1423513] Caught signal 11 (Segmentation fault: address not mapped to object at address (nil))</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">==== backtrace ====</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 0 /usr/lib64/libucs.so.0(+</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">0x1b25f)
[0x1462b91ad25f]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 1 /usr/lib64/libucs.so.0(+</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">0x1b42a)
[0x1462b91ad42a]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 2 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x4482df]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 3 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x40d1c5]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 4 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x42dd6e]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 5 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x404ded]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 6 /usr/lib64/libc.so.6(__libc_</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">start_main+0xf3)
[0x1462ba7bb1a3]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 7 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x404e1e]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">===================</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 0 /usr/lib64/libucs.so.0(+</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">0x1b25f)
[0x14b734f3725f]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 1 /usr/lib64/libucs.so.0(+</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">0x1b42a)
[0x14b734f3742a]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 2 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x4482df]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 3 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x40d1c5]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 4 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x42dd6e]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 5 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x404ded]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 6 /usr/lib64/libc.so.6(__libc_</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">start_main+0xf3)
[0x14b7365451a3]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"> 7 /home/mpiuser/WIEN2k-19.1/</span><wbr style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small"><span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">lapw1_mpi()
[0x404e1e]</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">===================</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">Primary job terminated normally, but 1 process returned</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">a non-zero exit code. Per user-direction, the job has been aborted.</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small"><br>
</span></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<span style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; font-size:small">mpirun noticed that process rank 1 with PID 0 on node node0 exited on signal 11 (Segmentation fault).</span></p>
<p style="font-size:16px"><span style="font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; color:rgb(34,34,34); font-size:small"></span><font face="Arial, Helvetica, sans-serif, serif, EmojiFont"><br style="color:rgb(34,34,34); font-size:small">
</font><span style="font-family:Arial,Helvetica,sans-serif,serif,EmojiFont; color:rgb(34,34,34); font-size:small">[1] + Done ( cd $PWD; $t $ttt; rm -f .lock_$lockfile[$p] ) >> .time1_$loop</span><br style="color:rgb(34,34,34); font-family:Arial,Helvetica,sans-serif; font-size:small">
--------------------------------------------------------------------------------------------------------------------------------</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
Dayfile of the case:</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">Calculating Testsession in /home/mpiuser/WIEN2k/Testsession</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">on node0 with PID 1423240</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">using WIEN2k_19.1 (Release 25/6/2019) in /home/mpiuser/WIEN2k-19.1</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt"> start (Mon 20 Apr 2020 01:52:09 PM CEST) with lapw0 (40/99 to go)</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt"> cycle 1 (Mon 20 Apr 2020 01:52:09 PM CEST) (40/99 to go)</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">> lapw0 -p (13:52:09) starting parallel lapw0 at Mon 20 Apr 2020 01:52:09 PM CEST</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">-------- .machine0 : 2 processors</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">1.028u 0.157s 0:02.41 48.5% 0+0k 0+496io 0pf+0w</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">> lapw1 -p (13:52:11) starting parallel lapw1 at Mon 20 Apr 2020 01:52:11 PM CEST</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">-> starting parallel LAPW1 jobs at Mon 20 Apr 2020 01:52:11 PM CEST</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">running LAPW1 in parallel mode (using .machines)</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">1 number_of_parallel_jobs</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt"> node0 node1(72) 0.100u 0.089s 0:01.03 17.4% 0+0k 0+8io 0pf+0w</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt"> Summary of lapw1para:</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt"> node0 k=0 user=72 wallclock=5.34</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">** LAPW1 crashed!</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">0.178u 0.148s 0:02.21 14.0% 0+0k 0+136io 0pf+0w</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">error: command /home/mpiuser/WIEN2k-19.1/lapw1para lapw1.def failed</span><br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<br style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">> stop error</span></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<span style="color:rgb(33,33,33); font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt"><br>
</span></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
</p>
<p style="color:rgb(33,33,33); font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<font color="#212121">Parallel_Options:</font></p>
<p style="color:rgb(33,33,33); font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<font color="#212121"><span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">setenv TASKSET "no"</span><br style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">if ( ! $?USE_REMOTE ) setenv USE_REMOTE 1</span><br style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">if ( ! $?MPI_REMOTE ) setenv MPI_REMOTE 0</span><br style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">setenv WIEN_GRANULARITY 1</span><br style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">setenv DELAY 0.1</span><br style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">setenv SLEEPY 1</span><br style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">setenv WIEN_MPIRUN "/usr/lib64/openmpi/bin/mpirun -x LD_LIBRARY_PATH -x PATH -np _NP_ -machinefile _HOSTS_ _EXEC_"</span><br style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:15px">
<span style="font-family:wf_segoe-ui_normal,"Segoe UI","Segoe WP",Tahoma,Arial,sans-serif,serif,EmojiFont; font-size:10pt">setenv CORES_PER_NODE 1</span><br>
</font></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<font color="#212121" face="wf_segoe-ui_normal, Segoe UI, Segoe WP, Tahoma, Arial, sans-serif, serif, EmojiFont"><span style="font-size:13.3333px"><span style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px"><br>
</span></span></font></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
.machines file:</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:10pt">1:node0:1 node1:1</span><br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:10pt">lapw0:node0:1 node1:1</span></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<span style="font-size:10pt">granularity:1</span></p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
Help would be greatly appreciated. </p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
Best Regards</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
<br>
</p>
<p style="font-family:Calibri,Helvetica,sans-serif,EmojiFont,"Apple Color Emoji","Segoe UI Emoji",NotoColorEmoji,"Segoe UI Symbol","Android Emoji",EmojiSymbols; font-size:16px">
André Deyerling</p>
<p></p>
</div>
</body>
</html>